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Öğe Crystal structure and Hirshfeld surface analysis of (E)-1-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene(2019) Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Bagirova,Khanim N.; Toze, A. A. FlavienIn the title compound, C14H8Cl2FN3O2, the 4-fluorophenyl ring and the nitro-substituted benzene ring form a dihedral angle of 63.29?(8)°. In the crystal, molecules are linked by C—H?O hydrogen bonds into chains running parallel to the c axis. The crystal packing is further stabilized by C—Cl??, C—F?? and N—O?? interactions. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H?O/O?H (15.5%), H?H (15.3%), Cl?H/H?Cl (13.8%), C?H/H?C (9.5%) and F?H/H?F (8.2%) interactions.Öğe Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-fluorobenzylidene)amino]-5-phenylthia-zolidin-2-iminium bromide(2019) Khalilov, Ali N.; Atioğlu, Zeliha; Akkurt, Mehmet; Duruskari, Gulnara Sh.; Toze, A. A. Flavien; Huseynova, Afet T.In the cation of the title salt, C16H15FN3S+·Br?, the phenyl ring is disordered over two sets of sites with a refined occupancy ratio of 0.503?(4):0.497?(4). The mean plane of the thiazolidine ring makes dihedral angles of 13.51?(14), 48.6?(3) and 76.5?(3)° with the fluorophenyl ring and the major- and minor-disorder components of the phenyl ring, respectively. The central thiazolidine ring adopts an envelope conformation. In the crystal, centrosymmetrically related cations and anions are linked into dimeric units via N—H...Br hydrogen bonds, which are further connected by weak C—H...Br hydrogen bonds into chains parallel to [110]. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H...H (44.3%), Br...H/H...Br (16.8%), C...H/H...C (13.9%), F...H/H...F (10.3%) and S...H/H...S (3.8%) interactions.Öğe Crystal structure and Hirshfeld surface analysis of 3,3?,3??-[(1,3,5-triazine-2,4,6-triyl)tris(oxy)]tris(5,5-dimethylcyclohex-2-en-1-one)(2018) Atioğlu, Zeliha; Akkurt, Mehmet; Toze, A. A. Flavien; Mammadova, Gunay Z.; Panahova, Humay M.The three cyclohexenone rings of the title compound, C27H33N3O6, adopt slightly distorted envelope conformations, with the C atom bearing two methyl groups as the flap atom in each case. These cyclohexenone mean planes form dihedral angles of 87.41?(11), 70.73?(11) and 70.47?(11)° with the 1,3,5-triazine ring, while the dihedral angle between the cyclohexenone mean planes are 57.52?(12), 23.75?(12) and 53.21?(12)°. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming a three-dimensional network.Öğe Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(E)-(4-chlorophenyl)diazenyl]- ethenyl}-N,N-dimethylaniline(International Union of Crystallography, 2020) Toze, A. A. Flavien; Suleymanova, Gulnar T.; Mukhtarova, Sevinc H.; Shikhaliyev, Namiq Q.; Akkurt, Mehmet; Atioğlu, ZelihaThe title compound, C16H14Cl3N3, comprises three molecules of similar shape in the asymmetric unit. The crystal cohesion is ensured by intermolecular C—H?N and C—H?Cl hydrogen bonds in addition to C—Cl?? interactions. Hirshfeld surface analysis and two-dimensional fingerprint plots reveal that Cl?H/H?Cl (33.6%), H?H (27.9%) and C?H/H?C (17.6%) are the most important contributors towards the crystal packing.Öğe Crystal structure and Hirshfeld surface analysis of dimethyl (3aS,6R,6aS,7S)-2-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H,6H,7H-3a,6:7,9a-diepoxybenzo[de]isoquinoline-3a1,6a-dicarboxylate(2018) Atioğlu, Zeliha; Akkurt, Mehmet; Toze, A. A. Flavien; Dorovatovskii, Pavel V.; Guliyeva, Narmina A.; Panahova, Humay M.The title molecule, C18H16F3NO7, comprises a fused cyclic system containing four five membered (two dihydrofuran and two tetrahydrofuran) rings and one six-membered (piperidine) ring. The five-membered dihydrofuran and tetrahydrofuran rings adopt envelope conformations, and the six-membered piperidine ring adopts a distorted chair conformation. Intramolecular OF interactions help to stabilize the conformational arrangement. In the crystal structure, molecules are linked by weak C—HO and C—HF hydrogen bonds, forming a three dimensional network. The Hirshfeld surface analysis confirms the dominant role of HH contacts in establishing the packingÖğe Crystal structure and Hirshfeld surface analysis of ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl]-5-nitro-2-oxidobenzenesulfonate dihydrate(2018) Atioğlu, Zeliha; Akkurt, Mehmet; Toze, A. A. Flavien; Huseynov, Fatali E.; Hajiyeva, Sarvinaz F.In the anion of the title hydrated salt, C2H10N22+·C21H13N3O8S2?·2H2O, the planes of the phenyl rings and the benzene ring of the 5-nitro-2-oxidobenzenesulfonate group are inclined to one another by 44.42?(11), 56.87?(11) and 77.70?(12)°. In the crystal, the anions are linked to the cations and the water molecules by N—H...O and O—H...O hydrogen bonds, forming a three-dimensional network. Furthermore, there are face-to-face ?–? stacking interactions between the centroids of one phenyl ring and the benzene ring of the 5-nitro-2-oxidobenzenesulfonate group [centroid–centroid distance = 3.8382?(13)?Å and slippage = 1.841?Å]. A Hirshfeld surface analysis was conducted to verify the contributions of the different intermolecular interactions.Öğe Crystal structure of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium including an unknown solvate(2019) Polyanskii, Kirill B.; Alekseeva, Kseniia A.; Kumandin, Pavel A.; Atioğlu, Zeliha; Akkurt, Mehmet; Toze, A. A. FlavienThe title compound, [RuCl2(C21H26N2)(C11H15N)], is an example of a new generation of N,N-dialkyl metallocomplex ruthenium catalysts with an N?Ru coordination bond as part of a six-membered chelate ring. The Ru atom has an Addison ? parameter of 0.234, which indicates a geometry intermediate between square-based pyramidal and trigonal–bipyramidal. The complex shows the usual trans arrangement of the two chloride ligands, with Ru—Cl bond lengths of 2.3397?(8) and 2.3476?(8)?Å, and a Cl—Ru— Cl angle of 157.47?(3)°. The crystal structure features C—H...Cl, C—H...? and ?–? stacking interactions. The solvent molecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9–18], which indicated a solvent cavity of volume 1096?Å3 containing approximately 419 electrons. These solvent molecules are not considered in the given chemical formula and other crystal data.